(2-methanoyl-4-nitro-phenyl) 3,4-dihydro-1H-isoquinoline-2-carbodithioate

Systemtic Name: (2-methanoyl-4-nitro-phenyl) 3,4-dihydro-1H-isoquinoline-2-carbodithioate Openeye Name: (2-formyl-4-nitro-phenyl) 3,4-dihydro-1H-isoquinoline-2-carbodithioate CAS Name: 3,4-dihydro-1H-isoquinoline-2-carbodithioic acid (2-formyl-4-nitrophenyl) ester IUPAC Name: (2-formyl-4-nitrophenyl) 3,4-dihydro-1H-isoquinoline-2-carbodithioate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-carbodithioic acid (2-formyl-4-nitro-phenyl) ester Formula: C17H14N2O3S2 MolecularWeight: 358.43466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=S)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=S)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O

InChI

InChI=1S/C17H14N2O3S2/c20-11-14-9-15(19(21)22)5-6-16(14)24-17(23)18-8-7-12-3-1-2-4-13(12)10-18/h1-6,9,11H,7-8,10H2